Determination of Toluene and Ethanol in Urine by Headspace and Cryotrapping Gas Chromatography–Mass Spectrometry

Jeong, Yu-dong; Suh, SeungIll; In, Moon Kyo; Paeng, Ki‐Jung; Kim, Ji Woo

doi:10.1080/00032719.2016.1219360

Cited by 4 publications

(5 citation statements)

References 29 publications

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“…Headspace (HS)-GC is one of the most common methods for the analysis of volatile compounds, since headspace extraction has the advantages of easy sample preparation, solvent-free extraction and high degree of automation compared with other traditional extraction technologies [1][2][3][4]. Coupling MS to HS-GC can significantly enhance the analytical sensitivity, which is a powerful tool for the analysis Article Related Abbreviations: HS, Headspace; MHE, multiple headspace extraction; P&T, Purge-and-trap; TIC, total ion chromatogram of volatile compounds in a wide range of applications [5][6][7][8].…”

Section: Introductionmentioning

confidence: 99%

Determination of highly volatile compounds in fresh onion (Allium cepa L.) by room‐temperature enrichment headspace‐trap coupled to cryotrapping GC–MS

Liu

Guo

2018

Separation Science Plus

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Conventional headspace‐based analysis is not suitable for identifying volatile compounds in fresh onion (Allium cepa L.) because large amounts of water vapor could affect the determination of target compounds. A headspace‐trap was introduced to remove water vapor and keep the analytes in the trap tube. Additionally, the headspace‐trap method based on room‐temperature enrichment could prevent enzyme‐sensitive samples from denaturing to maintain the original flavor compositions of the samples. Moreover, the highly volatile compounds were poorly separated after headspace extraction. By using a cryotrapping device, these compounds were well separated. Therefore, a room‐temperature enrichment headspace‐trap cryotrapping gas chromatography with mass spectrometric method was established for the determination of volatile compounds in fresh onion. With this method, a total of 73 volatile compounds were identified by mass spectral search and retention index. Among them, 29 highly volatile compounds were successfully separated before the retention time of 5 min, and these compounds contributed significantly to the smell of onion. The volatile compounds were dominated by dipropyl disulfide (35.42%), 1,2‐dithiolane (15.82%), 1‐propanethiol (11.74%) and propanal (11.23%). The results indicated that the proposed method was an effective tool for analyzing volatile compounds in high‐water‐content fresh onion samples.

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Section: Introductionmentioning

confidence: 99%

Determination of highly volatile compounds in fresh onion (Allium cepa L.) by room‐temperature enrichment headspace‐trap coupled to cryotrapping GC–MS

Liu

Guo

2018

Separation Science Plus

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“…Breath is only one example of bio-fluid in gas phase. Another example is urine headspace, which can also be collected noninvasively [34]. The absorption spectrum of the urine headspace accompanied with water suppression was collected in the range of 500 to 4000 cm −1 .…”

Section: Resultsmentioning

confidence: 99%

Molecular identification of bio-fluids in gas phase using infrared spectroscopy

et al. 2020

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Bio-fluids are the source of a large number of metabolites. Identification and quantification of them can be an efficient step for understanding the internal chemistry of the body as well as for developing objective diagnostics of diseases. Several techniques have been developed so far; however, their metabolite identification and/or quantification are not reliable enough for acceptance by clinicians. As another promising step in this direction, we push infrared spectroscopy of bio-fluids in gas phase. Here we discuss features of breath and urine headspace realized with Fourier transform infrared spectroscopy. Molecular identification procedures based on component analysis of gas samples are proposed. In this paper, we show that aggregate data from different bio-fluids in gas phase can strengthen the diagnostics of the body state and disease.

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“…where s i is the standard deviation for multiple replicates, n i is the number of replicates, and x i is the mean of the n i measurements [21]. Next, the relative standard uncertainty was linearly interpolated to estimate the corresponding value with the estimated measurand concentrations of AP and 4HA [22].…”

Section: Methods Repeatabilitymentioning

confidence: 99%

“…The measurand for Equation (21) does not include the additive factor for the uncertainty of calibrators and calibration curve uncertainty because the calibration curve was estimated using error-contaminated calibrators (because of the uncertainty of calibrators). Therefore, C s indicates the randomness associated with the preparation of calibrators and the calibration curve.…”

Section: For the Evaluation Of Mu 221 Mathematical Modeling Of The Me...mentioning

confidence: 99%

Uncertainty Evaluation for the Quantification of Urinary Amphetamine and 4-Hydroxyamphetamine Using Liquid Chromatography–Tandem Mass Spectrometry: Comparison of the Guide to the Expression of Uncertainty in Measurement Approach and the Monte Carlo Method with R

Kim,

Shin,

Hyun

et al. 2023

Molecules

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Estimating the measurement uncertainty (MU) is becoming increasingly mandatory in analytical toxicology. This study evaluates the uncertainty in the quantitative determination of urinary amphetamine (AP) and 4-hydroxyamphetamine (4HA) using a liquid chromatography–tandem mass spectrometry (LC–MS/MS) method based on the dilute-and-shoot approach. Urine sample dilution, preparation of calibrators, calibration curve, and method repeatability were identified as the sources of uncertainty. To evaluate the MU, the Guide to the Expression of Uncertainty in Measurement (GUM) approach and the Monte Carlo method (MCM) were compared using the R programming language. The MCM afforded a smaller coverage interval for both AP (94.83, 104.74) and 4HA (10.52, 12.14) than that produced by the GUM (AP (92.06, 107.41) and 4HA (10.21, 12.45)). The GUM approach offers an underestimated coverage interval for Type A evaluation, whereas the MCM provides an exact coverage interval under an abnormal probability distribution of the measurand. The MCM is useful in complex settings where the measurand is combined with numerous distributions because it is generated from the uncertainties of input quantities based on the propagation of the distribution. Therefore, the MCM is more practical than the GUM for evaluating the MU of urinary AP and 4HA concentrations using LC–MS/MS.

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Determination of Toluene and Ethanol in Urine by Headspace and Cryotrapping Gas Chromatography–Mass Spectrometry

Cited by 4 publications

References 29 publications

Determination of highly volatile compounds in fresh onion (Allium cepa L.) by room‐temperature enrichment headspace‐trap coupled to cryotrapping GC–MS

Determination of highly volatile compounds in fresh onion (Allium cepa L.) by room‐temperature enrichment headspace‐trap coupled to cryotrapping GC–MS

Molecular identification of bio-fluids in gas phase using infrared spectroscopy

Uncertainty Evaluation for the Quantification of Urinary Amphetamine and 4-Hydroxyamphetamine Using Liquid Chromatography–Tandem Mass Spectrometry: Comparison of the Guide to the Expression of Uncertainty in Measurement Approach and the Monte Carlo Method with R

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